SCHEMBL4725244

SCHEMBL4725244

C[N+](C)(CCOCCc1ccccc1)Cc1noc(C(O)(c2ccccc2)C2CCCCC2)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.36
CHRM2 P08172 4/20 0.36
CHRM1 P11229 4/20 0.36
SLC6A3 Q01959 3/20 0.36
LMNA P02545 3/20 0.36
CYP2D6 P10635 2/20 0.34
MEN1 O00255 3/20 0.34
ALDH1A1 P00352 3/20 0.34
KMT2A Q03164 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HRH1 P35367 5/20 0.33
CHRM3 P20309 3/20 0.33
HTT P42858 3/20 0.33
APAF1 O14727 2/20 0.33
USP2 O75604 2/20 0.33
ERBB2 P04626 2/20 0.33
TP53 P04637 2/20 0.33
FYN P06241 2/20 0.33
CHRM4 P08173 2/20 0.33
CYP3A4 P08684 2/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4782484 0.86 CHRM3 (0.36) KCNH2CHRM2CHRM1SLC6A3LMNA
SCHEMBL4777960 0.84 TSHR (0.35) KCNH2CHRM2CHRM1SLC6A3LMNA
SCHEMBL4778382 0.83 KCNH2 (0.38) KCNH2CHRM2CHRM1SLC6A3LMNA
Formic Acid SCHEMBL4794874 0.83 CHRM3 (0.34) KCNH2CHRM2CHRM1SLC6A3LMNA
Bromide SCHEMBL4725253 0.83 KCNH2 (0.38) KCNH2CHRM2CHRM1SLC6A3LMNA
Formic Acid SCHEMBL4794869 0.82 CHRM3 (0.34) KCNH2CHRM2CHRM1SLC6A3LMNA
SCHEMBL524177 0.82 CHRM2 (0.36) KCNH2CHRM2CHRM1SLC6A3LMNA
SCHEMBL4743343 0.82 CHRM2 (0.36) KCNH2CHRM2CHRM1SLC6A3LMNA
SCHEMBL4779696 0.82 KCNH2 (0.36) KCNH2CHRM2CHRM1SLC6A3LMNA
SCHEMBL524178 0.82 CHRM2 (0.36) KCNH2CHRM2CHRM1SLC6A3LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008023157-A1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS USEFUL AS M3-RECEPTOR MODULATORS ARGENTA DISCOVERY LIMITED (GB) 2008-02-28 WO claimed
WO-2008023157-A1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS USEFUL AS M3-RECEPTOR MODULATORS ARGENTA DISCOVERY LIMITED (GB) 2008-02-28 WO disclosed
WO-2008023157-A1 NITROGEN CONTAINING HETEROCYCLIC COMPOUNDS USEFUL AS M3-RECEPTOR MODULATORS ARGENTA DISCOVERY LIMITED (GB) 2008-02-28 WO disclosed